SCHEMBL8046626

SCHEMBL8046626

CCC(C)CCC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.40
PDE2A O00408 6/20 0.38
CHRM2 P08172 3/20 0.33
KDM1A O60341 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8034519 0.96 EPHX2 (0.39) EPHX2PDE2ACHRM2KDM1ACHRM5
SCHEMBL8034752 0.91 EPHX2 (0.36) EPHX2PDE2A
SCHEMBL8045228 0.90 EPHX2 (0.38) EPHX2PDE2ACHRM2CHRM5CHRM1
SCHEMBL8052175 0.88 EPHX2 (0.39) EPHX2PDE2A
SCHEMBL8045441 0.88 KCNH2 (0.39) EPHX2PDE2ACHRM2CHRM5KCNH2
SCHEMBL8048717 0.88 KCNH2 (0.37) EPHX2PDE2ACHRM2CHRM5KCNH2
SCHEMBL8052428 0.86 EPHX2 (0.40) EPHX2PDE2ACHRM2CHRM5KCNH2
SCHEMBL8051707 0.85 EPHX2 (0.38) EPHX2PDE2ACHRM2CHRM5CHRM1
SCHEMBL8043174 0.85 EPHX2 (0.32) EPHX2CHRM2CHRM5CHRM1CHRM3
SCHEMBL20932976 0.84 EPHX2 (0.37) EPHX2PDE2ACHRM2KDM1ACHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
US-5714088-A TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY CHISSO CORPORATION (JP) 1998-02-03 US disclosed
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed